SCHEMBL492889

SCHEMBL492889

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NCC3CCC(C(c4ccc(Cl)cc4)N(C)C)CC3)C2)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
AVPR1A P37288 10/20 0.38
HTR6 P50406 1/20 0.35
ATM Q13315 1/20 0.35
AVPR1B P47901 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL493706 0.96 EPHX2 (0.47) EPHX2AVPR1AHTR6AVPR1B
SCHEMBL493594 0.93 EPHX2 (0.43) EPHX2AVPR1AHTR6ATMAVPR1B
SCHEMBL492790 0.93 EPHX2 (0.38) EPHX2HTR6MAPTMEN1KMT2A
SCHEMBL493218 0.93 HTR6 (0.39) EPHX2AVPR1AHTR6AVPR1BMEN1
SCHEMBL493728 0.92 EPHX2 (0.49) EPHX2AVPR1AHTR6MEN1KMT2A
SCHEMBL494263 0.89 EPHX2 (0.46) EPHX2AVPR1AHTR6AVPR1BGAA
SCHEMBL492724 0.89 EPHX2 (0.40) EPHX2HTR6MEN1KMT2AGAA
SCHEMBL492268 0.89 EPHX2 (0.41) EPHX2AVPR1AHTR6AVPR1BMEN1
SCHEMBL492861 0.89 HTR6 (0.37) EPHX2AVPR1AHTR6MAPTMEN1
SCHEMBL493683 0.87 EPHX2 (0.39) EPHX2MAPTMEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD EPHX2 2567/4885AVPR1A 537/4885HTR6 2114/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.